methyl N-(4-cyanophenyl)-N'-(2,2,4,4-tetramethylthietan-3-yl)carbamimidothioate

Systemtic Name: methyl N-(4-cyanophenyl)-N'-(2,2,4,4-tetramethylthietan-3-yl)carbamimidothioate Openeye Name: 1-(4-cyanophenyl)-2-methyl-3-(2,2,4,4-tetramethylthietan-3-yl)isothiourea CAS Name: N-(4-cyanophenyl)-N'-(2,2,4,4-tetramethyl-3-thietanyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-cyanophenyl)-N'-(2,2,4,4-tetramethylthietan-3-yl)carbamimidothioate Traditional Name: 1-(4-cyanophenyl)-2-methyl-3-(2,2,4,4-tetramethylthietan-3-yl)isothiourea Formula: C16H21N3S2 MolecularWeight: 319.48804

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(S1)(C)C)N=C(NC2=CC=C(C=C2)C#N)SC)C

Isomeric SMILES

CC1(C(C(S1)(C)C)N=C(NC2=CC=C(C=C2)C#N)SC)C

InChI

InChI=1S/C16H21N3S2/c1-15(2)13(16(3,4)21-15)19-14(20-5)18-12-8-6-11(10-17)7-9-12/h6-9,13H,1-5H3,(H,18,19)